==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-02 1LF2 . COMPND 2 MOLECULE: PLASMEPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR O.A.ASOJO,E.AFONINA,S.V.GULNIK,B.YU,J.W.ERICKSON,R.RANDAD, . 329 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 50 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 5 4 2 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 139 0, 0.0 2,-0.4 0, 0.0 149,-0.2 0.000 360.0 360.0 360.0 -98.1 23.7 16.6 38.9 2 2 A S + 0 0 94 1,-0.1 170,-0.1 147,-0.1 147,-0.1 -0.643 360.0 159.0 74.4-127.0 20.6 17.8 36.8 3 3 A N - 0 0 22 -2,-0.4 2,-0.8 168,-0.1 168,-0.2 0.372 47.7 -99.5 82.5 145.2 21.9 19.9 33.8 4 4 A D E -A 170 0A 4 166,-2.6 166,-2.8 90,-0.1 2,-0.6 -0.837 38.3-163.0 -99.0 104.0 20.2 20.7 30.6 5 5 A N E -A 169 0A 48 -2,-0.8 2,-0.5 164,-0.2 164,-0.2 -0.849 8.2-173.4 -97.4 125.3 21.5 18.4 27.9 6 6 A I E -A 168 0A 11 162,-2.9 162,-2.9 -2,-0.6 2,-0.1 -0.969 25.3-127.9-114.1 115.4 20.9 19.3 24.2 7 7 A E E -A 167 0A 106 -2,-0.5 12,-0.5 160,-0.2 2,-0.4 -0.379 17.1-141.9 -68.5 140.0 22.0 16.6 21.7 8 8 A L E -A 166 0A 0 158,-2.2 158,-1.3 149,-0.2 2,-0.4 -0.807 6.9-147.4-105.9 141.7 24.3 17.6 18.9 9 9 A V E -F 17 0B 85 8,-2.8 8,-2.6 -2,-0.4 2,-0.3 -0.939 15.6-137.6-110.5 129.2 23.9 16.2 15.4 10 10 A D E -F 16 0B 42 -2,-0.4 2,-0.5 6,-0.3 6,-0.3 -0.642 10.1-160.5 -91.2 144.1 27.0 15.7 13.3 11 11 A F E >> S-F 15 0B 92 4,-3.3 3,-2.9 -2,-0.3 4,-1.6 -0.883 72.2 -55.8-123.7 97.6 27.4 16.5 9.6 12 12 A Q T 34 S- 0 0 100 -2,-0.5 4,-0.1 1,-0.3 -2,-0.0 0.551 96.2 -68.8 47.1 20.8 30.4 14.5 8.2 13 13 A N T 34 S+ 0 0 34 2,-0.4 -1,-0.3 262,-0.1 3,-0.1 0.601 127.5 90.9 77.2 12.0 32.8 16.0 10.9 14 14 A I T <4 S+ 0 0 67 -3,-2.9 2,-0.3 1,-0.4 -2,-0.2 0.842 95.8 1.0 -98.4 -55.6 32.5 19.3 9.2 15 15 A M E < -F 11 0B 56 -4,-1.6 -4,-3.3 288,-0.0 -2,-0.4 -0.785 56.8-161.4-131.4 163.4 29.6 20.8 11.1 16 16 A F E -F 10 0B 11 -6,-0.3 17,-0.4 -2,-0.3 2,-0.3 -0.963 11.9-161.3-143.3 150.9 27.2 19.8 13.9 17 17 A Y E -F 9 0B 13 -8,-2.6 -8,-2.8 -2,-0.3 2,-0.3 -0.899 5.9-160.2-132.7 164.2 23.8 21.3 14.9 18 18 A G E -G 31 0C 0 13,-1.8 13,-2.6 -2,-0.3 2,-0.3 -0.990 19.1-122.0-143.8 150.9 21.4 21.5 17.8 19 19 A D E +G 30 0C 78 -12,-0.5 75,-0.4 -2,-0.3 2,-0.3 -0.658 30.0 162.3 -97.3 143.8 17.7 22.2 18.2 20 20 A A E -G 29 0C 2 9,-1.8 9,-2.1 -2,-0.3 2,-0.3 -0.915 24.5-132.4-146.4 169.9 15.9 24.9 20.2 21 21 A E E -GH 28 92C 42 71,-2.4 71,-3.4 -2,-0.3 2,-0.3 -0.928 7.2-155.5-134.1 155.1 12.4 26.3 20.1 22 22 A V E > +GH 27 91C 1 5,-1.8 5,-2.6 -2,-0.3 69,-0.2 -0.961 56.3 36.7-130.1 143.0 10.8 29.7 20.1 23 23 A G T > 5S- 0 0 0 67,-2.6 3,-2.7 -2,-0.3 40,-0.1 0.114 90.6 -87.6 96.9 148.8 7.3 30.7 21.2 24 24 A D T 3 5S+ 0 0 52 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.774 133.4 58.2 -62.8 -12.4 5.1 29.5 24.0 25 25 A N T 3 5S- 0 0 77 -3,-0.1 -1,-0.3 65,-0.1 -2,-0.1 0.393 110.6-129.3 -94.0 4.0 4.1 27.0 21.3 26 26 A Q T < 5 - 0 0 95 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.914 25.3-162.5 50.6 59.7 7.7 25.9 21.0 27 27 A Q E < -G 22 0C 21 -5,-2.6 -5,-1.8 1,-0.1 2,-0.2 -0.554 24.1-119.5 -71.9 127.1 8.1 26.1 17.2 28 28 A P E +G 21 0C 65 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.529 35.9 171.9 -79.6 141.6 11.2 24.1 16.3 29 29 A F E -G 20 0C 2 -9,-2.1 -9,-1.8 -2,-0.2 2,-0.4 -0.986 28.0-131.5-144.3 150.5 14.5 25.3 14.6 30 30 A T E -G 19 0C 36 -2,-0.3 91,-3.6 -11,-0.2 92,-2.3 -0.869 35.6-168.1-105.5 129.0 17.9 23.7 13.9 31 31 A F E -Gi 18 122C 1 -13,-2.6 -13,-1.8 -2,-0.4 2,-0.6 -0.871 34.2-124.8-122.2 158.8 20.8 26.0 14.9 32 32 A I E - i 0 123C 26 90,-1.8 92,-2.9 -2,-0.3 2,-0.8 -0.871 35.5-142.1 -90.9 124.0 24.5 26.5 14.6 33 33 A L E - i 0 124C 5 -2,-0.6 2,-0.6 -17,-0.4 92,-0.2 -0.863 27.5-167.8 -94.5 107.0 25.5 26.6 18.4 34 34 A D E > - i 0 125C 14 90,-2.5 92,-2.4 -2,-0.8 3,-1.4 -0.845 34.9-179.5-113.7 101.0 28.1 29.3 18.2 35 35 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.4 1,-0.3 93,-0.2 0.583 86.7 67.7 -67.1 -6.3 30.6 30.3 21.0 36 36 A G T 3 S+ 0 0 12 156,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.204 102.8 36.4-100.2 12.6 31.9 32.9 18.5 37 37 A S < - 0 0 13 -3,-1.4 90,-1.8 87,-0.1 89,-0.8 -0.930 64.8-143.3-148.3 172.9 28.9 35.2 18.4 38 38 A A + 0 0 7 93,-0.6 2,-0.3 -2,-0.3 98,-0.2 0.071 64.3 84.4-133.8 27.4 26.2 36.4 20.9 39 39 A N - 0 0 7 93,-0.1 86,-1.6 92,-0.1 2,-0.4 -0.943 57.5-143.4-131.0 150.9 22.8 36.7 19.2 40 40 A L E +J 124 0C 3 61,-0.3 63,-2.0 -2,-0.3 2,-0.3 -0.883 25.8 173.1-109.3 141.4 20.0 34.2 18.4 41 41 A W E -Jk 123 103C 0 82,-1.7 82,-0.8 -2,-0.4 63,-0.2 -0.984 12.3-176.2-149.5 143.6 18.1 34.6 15.2 42 42 A V E - k 0 104C 0 61,-2.2 63,-2.3 -2,-0.3 2,-0.3 -0.968 37.9-100.7-135.9 147.7 15.5 32.6 13.4 43 43 A P E - k 0 105C 0 0, 0.0 15,-2.5 0, 0.0 63,-0.2 -0.566 41.7-129.2 -71.8 130.4 14.0 33.2 9.9 44 44 A S B > -n 58 0D 0 61,-2.7 3,-1.1 -2,-0.3 15,-0.2 -0.301 15.7-119.0 -75.5 165.8 10.5 34.8 10.1 45 45 A V T 3 S+ 0 0 69 13,-2.1 14,-0.1 1,-0.3 -1,-0.1 0.804 116.2 66.1 -73.1 -24.0 7.4 33.7 8.4 46 46 A K T 3 S+ 0 0 116 12,-0.4 2,-0.6 2,-0.0 -1,-0.3 0.137 80.3 104.6 -82.6 20.7 7.6 37.2 6.8 47 47 A a < + 0 0 4 -3,-1.1 60,-0.1 1,-0.1 59,-0.1 -0.930 35.9 164.4-107.9 126.5 10.8 36.1 5.0 48 48 A T + 0 0 131 58,-0.6 -1,-0.1 -2,-0.6 59,-0.1 0.326 30.7 121.8-122.4 6.2 10.5 35.4 1.3 49 49 A T S S- 0 0 21 57,-0.5 4,-0.5 1,-0.1 3,-0.2 -0.224 77.9-105.9 -62.8 160.4 14.0 35.4 -0.0 50 50 A A S > S+ 0 0 56 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.783 119.5 62.0 -58.4 -36.8 15.1 32.1 -1.6 51 51 A G G > S+ 0 0 0 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.949 99.7 56.1 -54.5 -46.4 17.2 31.1 1.3 52 52 A a G > S+ 0 0 3 1,-0.2 3,-0.9 -3,-0.2 -1,-0.2 0.595 85.4 90.0 -60.8 -16.5 14.0 31.1 3.5 53 53 A L G < S+ 0 0 131 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.850 92.8 31.5 -48.8 -56.8 12.4 28.6 1.3 54 54 A T G < S+ 0 0 107 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.445 102.5 106.3 -87.9 3.1 13.4 25.4 2.9 55 55 A K S < S- 0 0 16 -3,-0.9 2,-0.5 -4,-0.3 66,-0.1 -0.342 76.5-111.5 -91.5 161.6 13.6 26.7 6.4 56 56 A H - 0 0 101 -26,-0.1 2,-0.3 -2,-0.1 -26,-0.1 -0.783 46.3-149.6 -83.1 124.4 11.4 26.3 9.6 57 57 A L - 0 0 50 -2,-0.5 2,-0.5 -15,-0.1 -13,-0.2 -0.746 7.0-121.8-105.9 151.2 10.0 29.8 9.9 58 58 A Y B -n 44 0D 0 -15,-2.5 -13,-2.1 -2,-0.3 2,-0.7 -0.811 18.9-167.9 -94.6 126.8 8.9 31.7 13.0 59 59 A D > - 0 0 36 -2,-0.5 3,-1.3 -15,-0.2 -32,-0.1 -0.900 5.0-173.9-116.0 102.7 5.4 32.9 13.4 60 60 A S G > S+ 0 0 11 -2,-0.7 3,-1.4 1,-0.3 6,-0.2 0.708 81.4 67.4 -65.6 -27.6 5.0 35.4 16.3 61 61 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.676 94.5 60.8 -68.2 -14.4 1.2 35.5 15.9 62 62 A K G < S+ 0 0 129 -3,-1.3 2,-0.5 1,-0.1 -1,-0.3 0.372 96.2 72.0 -92.0 6.3 1.1 31.9 17.0 63 63 A S X - 0 0 7 -3,-1.4 3,-0.8 1,-0.1 -1,-0.1 -0.963 58.7-162.3-131.6 124.1 2.7 32.7 20.4 64 64 A R T 3 S+ 0 0 227 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.820 92.5 58.3 -69.0 -34.6 1.1 34.5 23.3 65 65 A T T 3 S+ 0 0 57 2,-0.1 -1,-0.2 25,-0.0 -42,-0.0 0.568 78.6 119.1 -73.5 -7.6 4.4 35.2 25.0 66 66 A Y < - 0 0 49 -3,-0.8 2,-0.4 -6,-0.2 23,-0.3 -0.303 45.9-166.2 -60.8 136.0 5.7 37.2 22.0 67 67 A E E -L 88 0C 110 21,-3.4 21,-2.5 0, 0.0 -2,-0.1 -0.995 20.2-122.7-127.4 124.6 6.5 40.8 22.7 68 68 A K E +L 87 0C 166 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.320 41.6 153.5 -65.9 139.5 7.0 43.2 19.8 69 69 A D E - 0 0 62 17,-0.7 18,-0.2 -2,-0.0 -1,-0.2 0.448 16.5-175.3-126.3 -68.4 10.2 45.1 19.5 70 70 A G E + 0 0 27 16,-3.0 17,-0.1 1,-0.3 2,-0.1 0.196 24.4 148.8 90.5 -21.0 10.7 45.9 15.9 71 71 A T E - 0 0 84 14,-0.1 15,-2.6 1,-0.1 -1,-0.3 -0.341 51.2-120.2 -50.2 120.7 14.2 47.6 16.1 72 72 A K E -L 85 0C 186 13,-0.3 2,-0.4 -3,-0.1 13,-0.3 -0.442 34.0-173.9 -70.5 137.7 15.9 46.8 12.8 73 73 A V E -L 84 0C 9 11,-1.6 11,-2.4 31,-0.2 2,-0.5 -0.999 19.2-158.9-135.4 145.5 19.2 44.8 13.0 74 74 A E E -L 83 0C 116 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.975 16.8-153.5-124.1 117.5 21.7 43.8 10.3 75 75 A M E -L 82 0C 9 7,-3.7 7,-1.8 -2,-0.5 2,-0.8 -0.901 10.6-167.1-100.7 106.7 23.6 40.8 11.6 76 76 A N E +L 81 0C 92 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.782 10.2 174.1 -99.4 94.8 27.1 40.8 9.9 77 77 A Y - 0 0 45 3,-2.9 3,-0.5 -2,-0.8 -40,-0.0 -0.366 47.3-113.5 -85.0 172.6 29.2 37.5 10.2 78 78 A V S S+ 0 0 158 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.783 122.8 55.3 -71.7 -26.1 32.5 37.0 8.4 79 79 A S S S- 0 0 87 1,-0.2 2,-0.3 32,-0.0 -1,-0.2 0.536 126.2 -63.2 -78.8 -13.3 30.4 34.4 6.6 80 80 A G - 0 0 15 -3,-0.5 -3,-2.9 34,-0.1 2,-0.3 -0.881 51.8 -84.8 149.0 178.0 27.6 36.7 5.5 81 81 A T E -L 76 0C 38 29,-2.5 2,-0.3 -2,-0.3 -5,-0.2 -0.935 23.4-177.1-128.9 145.0 24.7 38.9 6.6 82 82 A V E -L 75 0C 1 -7,-1.8 -7,-3.7 -2,-0.3 2,-0.3 -0.954 13.6-160.7-134.4 147.7 21.1 38.5 7.6 83 83 A S E +LM 74 107C 41 24,-2.4 23,-2.2 -2,-0.3 24,-2.1 -0.951 30.7 108.4-132.8 155.7 18.8 41.4 8.4 84 84 A G E -LM 73 105C 3 -11,-2.4 -11,-1.6 -2,-0.3 2,-0.3 -0.785 55.8 -76.1 177.9-132.5 15.5 41.7 10.3 85 85 A F E -LM 72 104C 28 19,-2.4 19,-2.9 -13,-0.3 -13,-0.3 -0.979 40.9 -90.3-156.7 160.9 14.3 43.2 13.6 86 86 A F E + M 0 103C 6 -15,-2.6 -16,-3.0 -2,-0.3 -17,-0.7 -0.498 41.4 171.7 -78.2 148.1 14.3 42.4 17.3 87 87 A S E -LM 68 102C 0 15,-1.9 15,-2.4 -18,-0.2 2,-0.4 -0.944 23.6-137.2-146.5 156.0 11.4 40.4 18.9 88 88 A K E +LM 67 101C 72 -21,-2.5 -21,-3.4 -2,-0.3 2,-0.3 -0.982 38.9 137.4-121.2 130.6 10.9 39.0 22.4 89 89 A D E - M 0 100C 3 11,-2.3 11,-2.8 -2,-0.4 2,-0.2 -0.966 57.0 -71.2-158.1 173.7 9.5 35.5 22.9 90 90 A L E - 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